4-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-7626 |
| Compound Name: | 4-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C24 H33 N3 O5 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1257 |
| logD: | 4.1256 |
| logSw: | -4.0381 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.711 |
| InChI Key: | XGGLDQIGDXFYBW-UHFFFAOYSA-N |